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Key Documents

B8879

Sigma-Aldrich

Benzethonium chloride

≥97% (titration), ≥98% (HPLC)

Synonyme(s) :

(Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, Phemerol chloride

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About This Item

Formule empirique (notation de Hill):
C27H42ClNO2
Numéro CAS:
Poids moléculaire :
448.08
Numéro Beilstein :
3898548
Numéro CE :
Numéro MDL:
Code UNSPSC :
12161900
ID de substance PubChem :
Nomenclature NACRES :
NA.25

Description

cationic

Niveau de qualité

Pureté

≥97% (titration)
≥98% (HPLC)

Forme

powder

Poids mol.

448.08 g/mol

Pf

162-164 °C (lit.)

Solubilité

H2O: 100 mg/mL, clear, colorless

Application(s)

microbiology

Chaîne SMILES 

[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

InChI

1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

Clé InChI

UREZNYTWGJKWBI-UHFFFAOYSA-M

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Description générale

The benzethonium chloride is a well characterized skin irritant and rare sensitizer.

Application

Benzethonium chloride has been used in a study to assess the minimum inhibitory concentrations of meticillin-resistant Staphylococcus aureus (MRSA) isolates from Malaysia. It has also been used in a study to prepare biocomposite films from sodium alginate and modified clay.

Clause de non-responsabilité

The product is not intended for use as a biocide under global biocide regulations, including but not limited to US EPA′s Federal Insecticide Fungicide and Rodenticide Act, European Biocidal Products Regulation, Canada’s Pest Management Regulatory Agency, Turkey’s Biocidal Products Regulation, Korea’s Consumer Chemical Products and Biocide Safety Management Act (K-BPR) and others.

Pictogrammes

Skull and crossbonesCorrosionEnvironment

Mention d'avertissement

Danger

Mentions de danger

Classification des risques

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B

Code de la classe de stockage

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

Classe de danger pour l'eau (WGK)

WGK 2

Équipement de protection individuelle

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges


Certificats d'analyse (COA)

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Consulter la Bibliothèque de documents

Michael J Orsini et al.
Journal of medicinal chemistry, 50(3), 462-471 (2007-02-03)
Metastin, also known as KiSS-1, the cognate ligand for the metastin receptor GPR54, is a peptide known to dramatically reduce metastasis in experimental models. Despite this, there is no reported structure for metastin nor any small molecule modulators of metastin
Elisabeth Lang et al.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, 28(2), 347-354 (2011-08-26)
Benzethonium, an antimicrobial surfactant widely used as preservative of pharmaceuticals, topical wound care product and oral disinfectant, triggers apoptosis of several cell types. The apoptosis is preceded and possibly triggered by mitochondrial depolarization. Even though lacking mitochondria, erythrocytes may similarly
M N Shamsudin et al.
The Journal of hospital infection, 81(3), 206-208 (2012-05-29)
The minimum inhibitory concentrations (MICs) of 60 meticillin-resistant Staphylococcus aureus (MRSA) isolates from Malaysia to three antiseptic agents - benzalkonium chloride (BZT), benzethonium chloride (BAC) and chlorhexidine digluconate (CHG) - were determined. All isolates had MICs ranging from 0.5 to
Somer Bekiroglu et al.
Journal of pharmaceutical and biomedical analysis, 47(4-5), 958-961 (2008-05-06)
A 1H-nuclear magnetic resonance (NMR) spectroscopy method for quantitative determination of benzethonium chloride (BTC) as a constituent of grapefruit seed extract was developed. The method was validated, assessing its specificity, linearity, range, and precision, as well as accuracy, limit of
Naoto Kojima et al.
Bioorganic & medicinal chemistry, 18(24), 8630-8641 (2010-11-16)
The convergent synthesis of fluorescence-labeled solamin, an antitumor Annonaceous acetogenin, was accomplished by two asymmetric alkynylations of 2,5-diformyl tetrahydrofuran with an alkyne tagged with fluorescent groups and another alkyne with an α,β-unsaturated γ-lactone. Assay for the growth inhibitory activity against

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